Calculation of solvation free energy using RISM theory for peptide in salt solution

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 citations

Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

1983 • 947 citations

Alkali halides in water: Ion–solvent correlations and ion–ion potentials of mean force at infinite dilution

1986 • 534 citations

Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

1984 • 343 citations

Dispersion forces

1962 • 321 citations

A site–site theory for finite concentration saline solutions

1992 • 276 citations

A dielectrically consistent interaction site theory for solvent—electrolyte mixtures

1992 • 207 citations

The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach

1985 • 150 citations

Solvation thermodynamics: An approach from analytic temperature derivatives

1990 • 130 citations

A new method of solving the HNC equation for ionic liquids

1980 • 123 citations

Molecular conformational equilibria in liquids

1986 • 117 citations

α-Helix folding by Monte Carlo simulated annealing in isolated C-peptide of ribonuclease A

1991 • 102 citations

Self-consistent calculation of electron-density profiles at strongly charged jellium surfaces

1986 • 97 citations

Effects of salt on the structure and dynamics of the bis(penicillamine) enkephalin zwitterion: a simulation study

1991 • 80 citations

Analysis of the Bulk and Surface-Induced Structure of Electrolyte Solutions Using Integral Equation Theories

1996 • 78 citations

Analysis of salt effects on solubility of noble gases in water using the reference interaction site model theory

1997 • 77 citations

An efficient newton's method for the numerical solution of fluid integral equations

1985 • 70 citations

Viewing the born model for ion hydration through a microscope

1988 • 64 citations

Prediction of α-Helix Folding of Isolated C-Peptide of Ribonuclease A by Monte Carlo Simulated Annealing

1991 • 63 citations

Solvation structure and stability of peptides in aqueous solutions analyzed by the reference interaction site model theory

1997 • 55 citations

Application of the reference interaction site model theory to analysis on surface-induced structure of water

1996 • 50 citations

Numerical solution of the HNC equation for ionic systems

1988 • 49 citations

Structure and properties of the metal–liquid interface

1994 • 44 citations

Structure of the metal-aqueous electrolyte solution interface

1997 • 41 citations

Calculation of hydration free energy for a solute with many atomic sites using the RISM theory: A robust and efficient algorithm

1997 • 41 citations

Salt effects in peptide solutions: theory and simulations

1993 • 37 citations

Salting in Peptides: Conformationally Dependent Solubilities and Phase Behavior of a Tripeptide Zwitterion in Electrolyte Solution

1996 • 27 citations

Structure of the metal-electrolyte solution interface: Theoretical results for simple models

1995 • 25 citations

Peptides in ionic solutions: a simulation study of a bis(penicillamine) enkephalin in sodium acetate solution

1993 • 24 citations

Peptide Conformations are Restricted by Solution Stability

1995 • 22 citations

Flexibility of tripeptides in solution: free energy molecular mechanics

1990 • 18 citations

Efficient Newton-Raphson and implicit Euler methods for solving the HNC equation

1992 • 9 citations

Cited By (0)

No citing papers found in database